N-(4-chlorophenyl)pyridine-2-carbothioamide
TL;DR: N-(4-chlorophenyl)pyridine-2-carbothioamide (CAS 27060-28-2) is a chemical compound with molecular formula C12H9ClN2S and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)pyridine-2-carbothioamide
Also Known As: N- pyridine-2-carbothioamide, N-(4-chlorophenyl)pyridine-2-carbothioamide, N-(4-Chlorophenyl)-2-pyridinecarbothioamide, 2-Pyridinecarbothioamide,N-(4-chlorophenyl)-, J3.017.744D
| Molecular Formula | C12H9ClN2S |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 3.5226 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0175 |
| Heavy Atoms | 16 |
| Complexity | 482.13177 |
Chemical Identifiers
| CAS Number | 27060-28-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=S)NC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorophenyl)pyridine-2-carbothioamide (CAS 27060-28-2), with molecular formula C12H9ClN2S and molecular weight 248.02 g/mol. IUPAC: N-(4-chlorophenyl)pyridine-2-carbothioamide.
Chemical Property Profile of N-(4-chlorophenyl)pyridine-2-carbothioamide
Property Insights of N-(4-chlorophenyl)pyridine-2-carbothioamide
The XLogP value of 3.5226 indicates that N-(4-chlorophenyl)pyridine-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, N-(4-chlorophenyl)pyridine-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)pyridine-2-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-chlorophenyl)pyridine-2-carbothioamide?
The CAS number of N-(4-chlorophenyl)pyridine-2-carbothioamide is 27060-28-2.
What is the molecular formula of N-(4-chlorophenyl)pyridine-2-carbothioamide?
The molecular formula of N-(4-chlorophenyl)pyridine-2-carbothioamide is C12H9ClN2S.
What is the molecular weight of N-(4-chlorophenyl)pyridine-2-carbothioamide?
The molecular weight of N-(4-chlorophenyl)pyridine-2-carbothioamide is 248.02 g/mol.
Where can I buy N-(4-chlorophenyl)pyridine-2-carbothioamide?
You can request a quote for N-(4-chlorophenyl)pyridine-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)pyridine-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)pyridine-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.